USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 7:sc= 0.275 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -100:sc= -11.3! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -156:sc= -1.94 (180deg=-2.22) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 70:sc= 0.0302 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.6!) USER MOD Single : A 36 SER OG : rot 130:sc= -1.05 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.0857 F(o=-1.3,f=-0.086) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 48:sc= 0.419 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.982 4.216 -17.862 1.00 0.00 N ATOM 2 CA GLY A 1 -23.185 3.475 -18.203 1.00 0.00 C ATOM 3 C GLY A 1 -24.197 3.515 -17.056 1.00 0.00 C ATOM 4 O GLY A 1 -25.305 4.024 -17.219 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.312 4.174 -18.656 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.228 5.208 -17.669 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.544 3.797 -17.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.633 3.896 -19.103 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.927 2.440 -18.429 1.00 0.00 H new ATOM 8 N SER A 2 -23.780 2.972 -15.922 1.00 0.00 N ATOM 9 CA SER A 2 -24.636 2.940 -14.749 1.00 0.00 C ATOM 10 C SER A 2 -23.819 2.549 -13.515 1.00 0.00 C ATOM 11 O SER A 2 -22.834 1.821 -13.624 1.00 0.00 O ATOM 12 CB SER A 2 -25.801 1.967 -14.943 1.00 0.00 C ATOM 13 OG SER A 2 -26.978 2.401 -14.268 1.00 0.00 O ATOM 0 H SER A 2 -22.860 2.551 -15.791 1.00 0.00 H new ATOM 0 HA SER A 2 -25.051 3.937 -14.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.012 1.862 -16.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.515 0.981 -14.575 1.00 0.00 H new ATOM 0 HG SER A 2 -27.699 1.754 -14.418 1.00 0.00 H new ATOM 19 N SER A 3 -24.258 3.052 -12.371 1.00 0.00 N ATOM 20 CA SER A 3 -23.580 2.764 -11.118 1.00 0.00 C ATOM 21 C SER A 3 -22.153 3.314 -11.158 1.00 0.00 C ATOM 22 O SER A 3 -21.478 3.227 -12.183 1.00 0.00 O ATOM 23 CB SER A 3 -23.562 1.261 -10.834 1.00 0.00 C ATOM 24 OG SER A 3 -22.656 0.927 -9.786 1.00 0.00 O ATOM 0 H SER A 3 -25.075 3.657 -12.285 1.00 0.00 H new ATOM 0 HA SER A 3 -24.128 3.251 -10.312 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.565 0.931 -10.565 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.282 0.724 -11.740 1.00 0.00 H new ATOM 0 HG SER A 3 -22.675 -0.041 -9.634 1.00 0.00 H new ATOM 30 N GLY A 4 -21.735 3.869 -10.029 1.00 0.00 N ATOM 31 CA GLY A 4 -20.400 4.433 -9.922 1.00 0.00 C ATOM 32 C GLY A 4 -19.988 4.592 -8.458 1.00 0.00 C ATOM 33 O GLY A 4 -20.530 5.435 -7.744 1.00 0.00 O ATOM 0 H GLY A 4 -22.297 3.940 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.687 3.789 -10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.370 5.402 -10.419 1.00 0.00 H new ATOM 37 N SER A 5 -19.033 3.768 -8.052 1.00 0.00 N ATOM 38 CA SER A 5 -18.542 3.806 -6.685 1.00 0.00 C ATOM 39 C SER A 5 -17.078 3.365 -6.642 1.00 0.00 C ATOM 40 O SER A 5 -16.208 4.126 -6.220 1.00 0.00 O ATOM 41 CB SER A 5 -19.390 2.921 -5.770 1.00 0.00 C ATOM 42 OG SER A 5 -20.673 3.488 -5.518 1.00 0.00 O ATOM 0 H SER A 5 -18.586 3.070 -8.646 1.00 0.00 H new ATOM 0 HA SER A 5 -18.616 4.832 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.511 1.939 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.868 2.771 -4.825 1.00 0.00 H new ATOM 0 HG SER A 5 -20.792 4.287 -6.073 1.00 0.00 H new ATOM 48 N SER A 6 -16.850 2.137 -7.085 1.00 0.00 N ATOM 49 CA SER A 6 -15.506 1.585 -7.103 1.00 0.00 C ATOM 50 C SER A 6 -14.941 1.537 -5.682 1.00 0.00 C ATOM 51 O SER A 6 -15.443 2.215 -4.787 1.00 0.00 O ATOM 52 CB SER A 6 -14.587 2.403 -8.012 1.00 0.00 C ATOM 53 OG SER A 6 -13.640 1.583 -8.691 1.00 0.00 O ATOM 0 H SER A 6 -17.574 1.509 -7.434 1.00 0.00 H new ATOM 0 HA SER A 6 -15.558 0.572 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.188 2.944 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.060 3.149 -7.418 1.00 0.00 H new ATOM 0 HG SER A 6 -13.073 2.142 -9.262 1.00 0.00 H new ATOM 59 N GLY A 7 -13.905 0.728 -5.518 1.00 0.00 N ATOM 60 CA GLY A 7 -13.266 0.582 -4.221 1.00 0.00 C ATOM 61 C GLY A 7 -12.246 -0.558 -4.237 1.00 0.00 C ATOM 62 O GLY A 7 -12.319 -1.449 -5.082 1.00 0.00 O ATOM 0 H GLY A 7 -13.492 0.166 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.771 1.514 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.021 0.388 -3.459 1.00 0.00 H new ATOM 66 N PRO A 8 -11.295 -0.491 -3.268 1.00 0.00 N ATOM 67 CA PRO A 8 -10.262 -1.507 -3.162 1.00 0.00 C ATOM 68 C PRO A 8 -10.823 -2.802 -2.571 1.00 0.00 C ATOM 69 O PRO A 8 -11.858 -2.787 -1.906 1.00 0.00 O ATOM 70 CB PRO A 8 -9.180 -0.880 -2.299 1.00 0.00 C ATOM 71 CG PRO A 8 -9.845 0.277 -1.572 1.00 0.00 C ATOM 72 CD PRO A 8 -11.178 0.549 -2.250 1.00 0.00 C ATOM 0 HA PRO A 8 -9.860 -1.799 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.775 -1.605 -1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.347 -0.531 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.995 0.032 -0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.212 1.164 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.002 0.500 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.200 1.544 -2.696 1.00 0.00 H new ATOM 80 N PRO A 9 -10.097 -3.920 -2.840 1.00 0.00 N ATOM 81 CA PRO A 9 -10.512 -5.220 -2.341 1.00 0.00 C ATOM 82 C PRO A 9 -10.223 -5.351 -0.845 1.00 0.00 C ATOM 83 O PRO A 9 -9.073 -5.520 -0.443 1.00 0.00 O ATOM 84 CB PRO A 9 -9.746 -6.227 -3.184 1.00 0.00 C ATOM 85 CG PRO A 9 -8.590 -5.459 -3.803 1.00 0.00 C ATOM 86 CD PRO A 9 -8.866 -3.975 -3.623 1.00 0.00 C ATOM 0 HA PRO A 9 -11.586 -5.381 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.383 -7.053 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.385 -6.658 -3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.650 -5.733 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.492 -5.703 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.045 -3.479 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.985 -3.475 -4.584 1.00 0.00 H new ATOM 94 N GLU A 10 -11.288 -5.268 -0.060 1.00 0.00 N ATOM 95 CA GLU A 10 -11.163 -5.375 1.384 1.00 0.00 C ATOM 96 C GLU A 10 -10.180 -6.489 1.751 1.00 0.00 C ATOM 97 O GLU A 10 -9.295 -6.292 2.581 1.00 0.00 O ATOM 98 CB GLU A 10 -12.527 -5.611 2.036 1.00 0.00 C ATOM 99 CG GLU A 10 -13.183 -4.286 2.429 1.00 0.00 C ATOM 100 CD GLU A 10 -14.673 -4.288 2.080 1.00 0.00 C ATOM 101 OE1 GLU A 10 -15.285 -5.370 2.210 1.00 0.00 O ATOM 102 OE2 GLU A 10 -15.166 -3.207 1.692 1.00 0.00 O ATOM 0 H GLU A 10 -12.241 -5.128 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.772 -4.432 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.175 -6.151 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.408 -6.238 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.056 -4.116 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.686 -3.463 1.915 1.00 0.00 H new ATOM 109 N ASP A 11 -10.369 -7.635 1.113 1.00 0.00 N ATOM 110 CA ASP A 11 -9.510 -8.780 1.362 1.00 0.00 C ATOM 111 C ASP A 11 -8.047 -8.342 1.281 1.00 0.00 C ATOM 112 O ASP A 11 -7.274 -8.571 2.211 1.00 0.00 O ATOM 113 CB ASP A 11 -9.734 -9.874 0.316 1.00 0.00 C ATOM 114 CG ASP A 11 -8.779 -11.065 0.411 1.00 0.00 C ATOM 115 OD1 ASP A 11 -8.675 -11.622 1.525 1.00 0.00 O ATOM 116 OD2 ASP A 11 -8.173 -11.391 -0.633 1.00 0.00 O ATOM 0 H ASP A 11 -11.104 -7.795 0.424 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.749 -9.172 2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.757 -10.240 0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.641 -9.432 -0.676 1.00 0.00 H new ATOM 121 N CYS A 12 -7.710 -7.718 0.162 1.00 0.00 N ATOM 122 CA CYS A 12 -6.353 -7.245 -0.052 1.00 0.00 C ATOM 123 C CYS A 12 -5.924 -6.444 1.179 1.00 0.00 C ATOM 124 O CYS A 12 -4.914 -6.757 1.807 1.00 0.00 O ATOM 125 CB CYS A 12 -6.236 -6.424 -1.338 1.00 0.00 C ATOM 126 SG CYS A 12 -4.491 -5.948 -1.620 1.00 0.00 S ATOM 0 H CYS A 12 -8.354 -7.529 -0.606 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.684 -8.096 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.605 -7.004 -2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.858 -5.532 -1.268 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.309 -4.719 -1.236 1.00 0.00 H new ATOM 132 N VAL A 13 -6.712 -5.424 1.486 1.00 0.00 N ATOM 133 CA VAL A 13 -6.427 -4.575 2.630 1.00 0.00 C ATOM 134 C VAL A 13 -6.039 -5.449 3.824 1.00 0.00 C ATOM 135 O VAL A 13 -4.972 -5.269 4.409 1.00 0.00 O ATOM 136 CB VAL A 13 -7.623 -3.666 2.918 1.00 0.00 C ATOM 137 CG1 VAL A 13 -7.385 -2.829 4.177 1.00 0.00 C ATOM 138 CG2 VAL A 13 -7.934 -2.772 1.716 1.00 0.00 C ATOM 0 H VAL A 13 -7.548 -5.166 0.962 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.582 -3.920 2.418 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.491 -4.301 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.250 -2.192 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.235 -3.490 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.500 -2.208 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.788 -2.136 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.068 -2.149 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.168 -3.393 0.851 1.00 0.00 H new ATOM 148 N THR A 14 -6.926 -6.378 4.149 1.00 0.00 N ATOM 149 CA THR A 14 -6.690 -7.281 5.263 1.00 0.00 C ATOM 150 C THR A 14 -5.317 -7.944 5.130 1.00 0.00 C ATOM 151 O THR A 14 -4.440 -7.738 5.967 1.00 0.00 O ATOM 152 CB THR A 14 -7.846 -8.281 5.314 1.00 0.00 C ATOM 153 OG1 THR A 14 -8.919 -7.542 5.892 1.00 0.00 O ATOM 154 CG2 THR A 14 -7.596 -9.415 6.311 1.00 0.00 C ATOM 0 H THR A 14 -7.809 -6.525 3.661 1.00 0.00 H new ATOM 0 HA THR A 14 -6.666 -6.743 6.211 1.00 0.00 H new ATOM 0 HB THR A 14 -8.007 -8.700 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.711 -8.115 5.961 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.447 -10.096 6.308 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.695 -9.958 6.026 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.468 -8.999 7.310 1.00 0.00 H new ATOM 162 N THR A 15 -5.175 -8.729 4.071 1.00 0.00 N ATOM 163 CA THR A 15 -3.925 -9.424 3.818 1.00 0.00 C ATOM 164 C THR A 15 -2.735 -8.528 4.169 1.00 0.00 C ATOM 165 O THR A 15 -2.004 -8.805 5.118 1.00 0.00 O ATOM 166 CB THR A 15 -3.928 -9.885 2.359 1.00 0.00 C ATOM 167 OG1 THR A 15 -4.878 -10.947 2.333 1.00 0.00 O ATOM 168 CG2 THR A 15 -2.612 -10.552 1.953 1.00 0.00 C ATOM 0 H THR A 15 -5.905 -8.898 3.379 1.00 0.00 H new ATOM 0 HA THR A 15 -3.827 -10.305 4.453 1.00 0.00 H new ATOM 0 HB THR A 15 -4.118 -9.031 1.709 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.945 -11.304 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.667 -10.860 0.909 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.792 -9.846 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.438 -11.426 2.581 1.00 0.00 H new ATOM 176 N ILE A 16 -2.580 -7.471 3.385 1.00 0.00 N ATOM 177 CA ILE A 16 -1.492 -6.533 3.601 1.00 0.00 C ATOM 178 C ILE A 16 -1.318 -6.297 5.103 1.00 0.00 C ATOM 179 O ILE A 16 -0.270 -6.607 5.667 1.00 0.00 O ATOM 180 CB ILE A 16 -1.723 -5.250 2.800 1.00 0.00 C ATOM 181 CG1 ILE A 16 -1.666 -5.525 1.296 1.00 0.00 C ATOM 182 CG2 ILE A 16 -0.740 -4.156 3.221 1.00 0.00 C ATOM 183 CD1 ILE A 16 -1.826 -4.231 0.496 1.00 0.00 C ATOM 0 H ILE A 16 -3.190 -7.244 2.600 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.554 -6.947 3.232 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.725 -4.884 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.716 -5.997 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.453 -6.227 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.926 -3.255 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.873 -3.935 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.280 -4.497 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.782 -4.454 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.787 -3.774 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.023 -3.541 0.756 1.00 0.00 H new ATOM 195 N VAL A 17 -2.362 -5.750 5.708 1.00 0.00 N ATOM 196 CA VAL A 17 -2.339 -5.470 7.134 1.00 0.00 C ATOM 197 C VAL A 17 -1.902 -6.726 7.890 1.00 0.00 C ATOM 198 O VAL A 17 -1.128 -6.644 8.843 1.00 0.00 O ATOM 199 CB VAL A 17 -3.702 -4.944 7.586 1.00 0.00 C ATOM 200 CG1 VAL A 17 -3.718 -4.688 9.095 1.00 0.00 C ATOM 201 CG2 VAL A 17 -4.088 -3.682 6.812 1.00 0.00 C ATOM 0 H VAL A 17 -3.229 -5.493 5.237 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.613 -4.688 7.357 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.445 -5.711 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.699 -4.315 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.509 -5.618 9.624 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.957 -3.949 9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.061 -3.329 7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.341 -2.907 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.137 -3.909 5.747 1.00 0.00 H new ATOM 211 N SER A 18 -2.416 -7.860 7.436 1.00 0.00 N ATOM 212 CA SER A 18 -2.089 -9.132 8.057 1.00 0.00 C ATOM 213 C SER A 18 -0.572 -9.266 8.207 1.00 0.00 C ATOM 214 O SER A 18 -0.088 -9.794 9.207 1.00 0.00 O ATOM 215 CB SER A 18 -2.648 -10.302 7.245 1.00 0.00 C ATOM 216 OG SER A 18 -3.263 -11.282 8.075 1.00 0.00 O ATOM 0 H SER A 18 -3.057 -7.924 6.645 1.00 0.00 H new ATOM 0 HA SER A 18 -2.549 -9.159 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.376 -9.928 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.843 -10.764 6.674 1.00 0.00 H new ATOM 0 HG SER A 18 -3.609 -12.011 7.519 1.00 0.00 H new ATOM 222 N MET A 19 0.135 -8.779 7.198 1.00 0.00 N ATOM 223 CA MET A 19 1.587 -8.839 7.205 1.00 0.00 C ATOM 224 C MET A 19 2.167 -7.950 8.307 1.00 0.00 C ATOM 225 O MET A 19 3.259 -8.211 8.810 1.00 0.00 O ATOM 226 CB MET A 19 2.123 -8.383 5.846 1.00 0.00 C ATOM 227 CG MET A 19 1.266 -8.935 4.705 1.00 0.00 C ATOM 228 SD MET A 19 2.312 -9.519 3.383 1.00 0.00 S ATOM 229 CE MET A 19 1.591 -8.642 2.006 1.00 0.00 C ATOM 0 H MET A 19 -0.270 -8.341 6.371 1.00 0.00 H new ATOM 0 HA MET A 19 1.889 -9.868 7.398 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.135 -7.294 5.803 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.153 -8.718 5.727 1.00 0.00 H new ATOM 0 HG2 MET A 19 0.640 -9.749 5.071 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.596 -8.159 4.334 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.808 -9.176 1.081 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.512 -8.576 2.142 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.012 -7.638 1.953 1.00 0.00 H new ATOM 239 N GLY A 20 1.410 -6.917 8.649 1.00 0.00 N ATOM 240 CA GLY A 20 1.835 -5.988 9.683 1.00 0.00 C ATOM 241 C GLY A 20 2.096 -4.599 9.097 1.00 0.00 C ATOM 242 O GLY A 20 2.954 -3.866 9.587 1.00 0.00 O ATOM 0 H GLY A 20 0.506 -6.703 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.069 -5.923 10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.740 -6.361 10.162 1.00 0.00 H new ATOM 246 N PHE A 21 1.341 -4.279 8.057 1.00 0.00 N ATOM 247 CA PHE A 21 1.480 -2.991 7.399 1.00 0.00 C ATOM 248 C PHE A 21 0.350 -2.043 7.806 1.00 0.00 C ATOM 249 O PHE A 21 -0.669 -2.479 8.339 1.00 0.00 O ATOM 250 CB PHE A 21 1.399 -3.246 5.893 1.00 0.00 C ATOM 251 CG PHE A 21 2.622 -3.961 5.316 1.00 0.00 C ATOM 252 CD1 PHE A 21 3.837 -3.351 5.334 1.00 0.00 C ATOM 253 CD2 PHE A 21 2.494 -5.207 4.785 1.00 0.00 C ATOM 254 CE1 PHE A 21 4.973 -4.015 4.798 1.00 0.00 C ATOM 255 CE2 PHE A 21 3.629 -5.870 4.249 1.00 0.00 C ATOM 256 CZ PHE A 21 4.845 -5.260 4.267 1.00 0.00 C ATOM 0 H PHE A 21 0.631 -4.890 7.653 1.00 0.00 H new ATOM 0 HA PHE A 21 2.426 -2.529 7.682 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.510 -3.841 5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.273 -2.293 5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.939 -2.362 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.529 -5.692 4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.938 -3.531 4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.527 -6.859 3.827 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.708 -5.765 3.860 1.00 0.00 H new ATOM 266 N SER A 22 0.568 -0.764 7.538 1.00 0.00 N ATOM 267 CA SER A 22 -0.419 0.249 7.869 1.00 0.00 C ATOM 268 C SER A 22 -1.561 0.219 6.851 1.00 0.00 C ATOM 269 O SER A 22 -1.334 -0.004 5.664 1.00 0.00 O ATOM 270 CB SER A 22 0.214 1.641 7.915 1.00 0.00 C ATOM 271 OG SER A 22 1.536 1.609 8.447 1.00 0.00 O ATOM 0 H SER A 22 1.414 -0.406 7.095 1.00 0.00 H new ATOM 0 HA SER A 22 -0.817 0.028 8.859 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.238 2.062 6.910 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.405 2.301 8.522 1.00 0.00 H new ATOM 0 HG SER A 22 1.906 2.516 8.458 1.00 0.00 H new ATOM 277 N ARG A 23 -2.766 0.447 7.355 1.00 0.00 N ATOM 278 CA ARG A 23 -3.944 0.449 6.504 1.00 0.00 C ATOM 279 C ARG A 23 -3.770 1.447 5.358 1.00 0.00 C ATOM 280 O ARG A 23 -4.088 1.140 4.210 1.00 0.00 O ATOM 281 CB ARG A 23 -5.198 0.813 7.302 1.00 0.00 C ATOM 282 CG ARG A 23 -6.463 0.342 6.580 1.00 0.00 C ATOM 283 CD ARG A 23 -7.635 1.286 6.855 1.00 0.00 C ATOM 284 NE ARG A 23 -8.768 0.530 7.434 1.00 0.00 N ATOM 285 CZ ARG A 23 -9.926 1.086 7.815 1.00 0.00 C ATOM 286 NH1 ARG A 23 -10.110 2.407 7.681 1.00 0.00 N ATOM 287 NH2 ARG A 23 -10.899 0.323 8.329 1.00 0.00 N ATOM 0 H ARG A 23 -2.951 0.631 8.341 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.063 -0.556 6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.149 0.358 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.239 1.892 7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.276 0.291 5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.719 -0.666 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.325 2.074 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.946 1.772 5.930 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.661 -0.478 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.369 2.988 7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.991 2.831 7.971 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.759 -0.682 8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.780 0.747 8.619 1.00 0.00 H new ATOM 301 N ASP A 24 -3.264 2.620 5.708 1.00 0.00 N ATOM 302 CA ASP A 24 -3.043 3.665 4.723 1.00 0.00 C ATOM 303 C ASP A 24 -2.177 3.114 3.588 1.00 0.00 C ATOM 304 O ASP A 24 -2.478 3.325 2.414 1.00 0.00 O ATOM 305 CB ASP A 24 -2.312 4.858 5.340 1.00 0.00 C ATOM 306 CG ASP A 24 -1.128 4.497 6.240 1.00 0.00 C ATOM 307 OD1 ASP A 24 -0.008 4.400 5.693 1.00 0.00 O ATOM 308 OD2 ASP A 24 -1.371 4.324 7.454 1.00 0.00 O ATOM 0 H ASP A 24 -3.000 2.870 6.661 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.015 3.991 4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.955 5.501 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.026 5.441 5.921 1.00 0.00 H new ATOM 313 N GLN A 25 -1.118 2.420 3.978 1.00 0.00 N ATOM 314 CA GLN A 25 -0.207 1.837 3.008 1.00 0.00 C ATOM 315 C GLN A 25 -0.971 0.938 2.035 1.00 0.00 C ATOM 316 O GLN A 25 -0.960 1.172 0.827 1.00 0.00 O ATOM 317 CB GLN A 25 0.915 1.064 3.705 1.00 0.00 C ATOM 318 CG GLN A 25 1.866 2.015 4.433 1.00 0.00 C ATOM 319 CD GLN A 25 3.325 1.629 4.183 1.00 0.00 C ATOM 320 OE1 GLN A 25 3.842 0.667 4.729 1.00 0.00 O ATOM 321 NE2 GLN A 25 3.959 2.429 3.331 1.00 0.00 N ATOM 0 H GLN A 25 -0.871 2.248 4.953 1.00 0.00 H new ATOM 0 HA GLN A 25 0.253 2.645 2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.487 0.357 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.470 0.481 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.693 3.037 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.659 1.994 5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.467 3.217 2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.937 2.255 3.099 1.00 0.00 H new ATOM 330 N ALA A 26 -1.616 -0.074 2.596 1.00 0.00 N ATOM 331 CA ALA A 26 -2.384 -1.010 1.793 1.00 0.00 C ATOM 332 C ALA A 26 -3.236 -0.234 0.788 1.00 0.00 C ATOM 333 O ALA A 26 -3.115 -0.435 -0.420 1.00 0.00 O ATOM 334 CB ALA A 26 -3.228 -1.897 2.711 1.00 0.00 C ATOM 0 H ALA A 26 -1.623 -0.266 3.598 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.721 -1.664 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.804 -2.599 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.574 -2.449 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.908 -1.275 3.293 1.00 0.00 H new ATOM 340 N LEU A 27 -4.079 0.637 1.323 1.00 0.00 N ATOM 341 CA LEU A 27 -4.951 1.445 0.487 1.00 0.00 C ATOM 342 C LEU A 27 -4.121 2.119 -0.608 1.00 0.00 C ATOM 343 O LEU A 27 -4.340 1.879 -1.794 1.00 0.00 O ATOM 344 CB LEU A 27 -5.754 2.428 1.342 1.00 0.00 C ATOM 345 CG LEU A 27 -7.083 1.907 1.893 1.00 0.00 C ATOM 346 CD1 LEU A 27 -7.579 2.782 3.046 1.00 0.00 C ATOM 347 CD2 LEU A 27 -8.125 1.779 0.780 1.00 0.00 C ATOM 0 H LEU A 27 -4.177 0.801 2.325 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.688 0.816 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.133 2.740 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.955 3.318 0.745 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.918 0.908 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.525 2.390 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.842 2.778 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.724 3.803 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.060 1.407 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.294 2.755 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.764 1.084 0.022 1.00 0.00 H new ATOM 359 N LYS A 28 -3.185 2.948 -0.170 1.00 0.00 N ATOM 360 CA LYS A 28 -2.321 3.658 -1.098 1.00 0.00 C ATOM 361 C LYS A 28 -1.761 2.671 -2.123 1.00 0.00 C ATOM 362 O LYS A 28 -2.002 2.812 -3.321 1.00 0.00 O ATOM 363 CB LYS A 28 -1.243 4.435 -0.339 1.00 0.00 C ATOM 364 CG LYS A 28 -1.379 5.940 -0.579 1.00 0.00 C ATOM 365 CD LYS A 28 -0.006 6.608 -0.664 1.00 0.00 C ATOM 366 CE LYS A 28 0.459 7.084 0.713 1.00 0.00 C ATOM 367 NZ LYS A 28 0.417 8.561 0.793 1.00 0.00 N ATOM 0 H LYS A 28 -3.006 3.144 0.815 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.889 4.405 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.322 4.225 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.256 4.100 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.931 6.116 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.957 6.390 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.719 5.905 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.051 7.455 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.177 6.654 1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.473 6.732 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.736 8.867 1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.042 8.966 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.557 8.890 0.634 1.00 0.00 H new ATOM 381 N ALA A 29 -1.024 1.694 -1.616 1.00 0.00 N ATOM 382 CA ALA A 29 -0.427 0.684 -2.473 1.00 0.00 C ATOM 383 C ALA A 29 -1.429 0.287 -3.559 1.00 0.00 C ATOM 384 O ALA A 29 -1.181 0.503 -4.745 1.00 0.00 O ATOM 385 CB ALA A 29 0.015 -0.510 -1.624 1.00 0.00 C ATOM 0 H ALA A 29 -0.827 1.580 -0.622 1.00 0.00 H new ATOM 0 HA ALA A 29 0.460 1.077 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.463 -1.268 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.747 -0.181 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.850 -0.933 -1.113 1.00 0.00 H new ATOM 391 N LEU A 30 -2.538 -0.285 -3.116 1.00 0.00 N ATOM 392 CA LEU A 30 -3.578 -0.714 -4.036 1.00 0.00 C ATOM 393 C LEU A 30 -3.747 0.338 -5.134 1.00 0.00 C ATOM 394 O LEU A 30 -3.433 0.084 -6.296 1.00 0.00 O ATOM 395 CB LEU A 30 -4.870 -1.024 -3.278 1.00 0.00 C ATOM 396 CG LEU A 30 -4.943 -2.399 -2.610 1.00 0.00 C ATOM 397 CD1 LEU A 30 -6.072 -2.449 -1.579 1.00 0.00 C ATOM 398 CD2 LEU A 30 -5.071 -3.509 -3.655 1.00 0.00 C ATOM 0 H LEU A 30 -2.740 -0.462 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.292 -1.645 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.010 -0.262 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.705 -0.935 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.010 -2.568 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.102 -3.437 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.896 -1.696 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.024 -2.249 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.121 -4.476 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.978 -3.356 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.205 -3.487 -4.317 1.00 0.00 H new ATOM 410 N ARG A 31 -4.242 1.497 -4.728 1.00 0.00 N ATOM 411 CA ARG A 31 -4.457 2.589 -5.662 1.00 0.00 C ATOM 412 C ARG A 31 -3.186 2.850 -6.474 1.00 0.00 C ATOM 413 O ARG A 31 -3.258 3.211 -7.647 1.00 0.00 O ATOM 414 CB ARG A 31 -4.858 3.871 -4.930 1.00 0.00 C ATOM 415 CG ARG A 31 -5.984 4.595 -5.670 1.00 0.00 C ATOM 416 CD ARG A 31 -5.955 6.097 -5.379 1.00 0.00 C ATOM 417 NE ARG A 31 -7.030 6.449 -4.425 1.00 0.00 N ATOM 418 CZ ARG A 31 -6.911 6.362 -3.093 1.00 0.00 C ATOM 419 NH1 ARG A 31 -5.764 5.934 -2.549 1.00 0.00 N ATOM 420 NH2 ARG A 31 -7.940 6.703 -2.305 1.00 0.00 N ATOM 0 H ARG A 31 -4.501 1.704 -3.763 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.267 2.298 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.180 3.630 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.994 4.529 -4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.886 4.427 -6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.946 4.181 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.986 6.377 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.082 6.658 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.917 6.779 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.981 5.674 -3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.674 5.868 -1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.813 7.029 -2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.850 6.637 -1.291 1.00 0.00 H new ATOM 434 N ALA A 32 -2.052 2.657 -5.816 1.00 0.00 N ATOM 435 CA ALA A 32 -0.767 2.867 -6.462 1.00 0.00 C ATOM 436 C ALA A 32 -0.585 1.832 -7.574 1.00 0.00 C ATOM 437 O ALA A 32 -0.238 2.181 -8.701 1.00 0.00 O ATOM 438 CB ALA A 32 0.347 2.800 -5.415 1.00 0.00 C ATOM 0 H ALA A 32 -1.996 2.358 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.725 3.855 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.311 2.957 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.187 3.574 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.337 1.821 -4.935 1.00 0.00 H new ATOM 444 N THR A 33 -0.828 0.579 -7.218 1.00 0.00 N ATOM 445 CA THR A 33 -0.695 -0.509 -8.172 1.00 0.00 C ATOM 446 C THR A 33 -2.044 -0.812 -8.827 1.00 0.00 C ATOM 447 O THR A 33 -2.406 -1.974 -9.001 1.00 0.00 O ATOM 448 CB THR A 33 -0.092 -1.709 -7.439 1.00 0.00 C ATOM 449 OG1 THR A 33 -0.835 -1.784 -6.225 1.00 0.00 O ATOM 450 CG2 THR A 33 1.345 -1.455 -6.981 1.00 0.00 C ATOM 0 H THR A 33 -1.116 0.293 -6.282 1.00 0.00 H new ATOM 0 HA THR A 33 -0.026 -0.239 -8.989 1.00 0.00 H new ATOM 0 HB THR A 33 -0.115 -2.581 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.751 -2.072 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.724 -2.338 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.971 -1.243 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.365 -0.603 -6.302 1.00 0.00 H new ATOM 458 N ASN A 34 -2.750 0.255 -9.173 1.00 0.00 N ATOM 459 CA ASN A 34 -4.051 0.118 -9.805 1.00 0.00 C ATOM 460 C ASN A 34 -4.830 -1.008 -9.121 1.00 0.00 C ATOM 461 O ASN A 34 -5.067 -2.056 -9.720 1.00 0.00 O ATOM 462 CB ASN A 34 -3.909 -0.238 -11.286 1.00 0.00 C ATOM 463 CG ASN A 34 -3.964 1.017 -12.159 1.00 0.00 C ATOM 464 OD1 ASN A 34 -5.002 1.631 -12.344 1.00 0.00 O ATOM 465 ND2 ASN A 34 -2.792 1.363 -12.684 1.00 0.00 N ATOM 0 H ASN A 34 -2.445 1.218 -9.028 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.573 1.070 -9.711 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.965 -0.758 -11.450 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.705 -0.923 -11.577 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.724 2.187 -13.282 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.961 0.805 -12.489 1.00 0.00 H new ATOM 472 N ASN A 35 -5.206 -0.753 -7.876 1.00 0.00 N ATOM 473 CA ASN A 35 -5.953 -1.732 -7.105 1.00 0.00 C ATOM 474 C ASN A 35 -5.383 -3.127 -7.371 1.00 0.00 C ATOM 475 O ASN A 35 -6.004 -3.933 -8.063 1.00 0.00 O ATOM 476 CB ASN A 35 -7.429 -1.739 -7.506 1.00 0.00 C ATOM 477 CG ASN A 35 -8.050 -0.351 -7.336 1.00 0.00 C ATOM 478 OD1 ASN A 35 -7.407 0.599 -6.922 1.00 0.00 O ATOM 479 ND2 ASN A 35 -9.334 -0.288 -7.677 1.00 0.00 N ATOM 0 H ASN A 35 -5.007 0.117 -7.382 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.868 -1.468 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.526 -2.060 -8.543 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.972 -2.461 -6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.840 0.594 -7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.813 -1.122 -8.017 1.00 0.00 H new ATOM 486 N SER A 36 -4.209 -3.369 -6.808 1.00 0.00 N ATOM 487 CA SER A 36 -3.549 -4.653 -6.976 1.00 0.00 C ATOM 488 C SER A 36 -2.963 -5.119 -5.642 1.00 0.00 C ATOM 489 O SER A 36 -2.482 -4.306 -4.853 1.00 0.00 O ATOM 490 CB SER A 36 -2.452 -4.573 -8.039 1.00 0.00 C ATOM 491 OG SER A 36 -1.767 -5.813 -8.193 1.00 0.00 O ATOM 0 H SER A 36 -3.697 -2.698 -6.235 1.00 0.00 H new ATOM 0 HA SER A 36 -4.291 -5.378 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.892 -4.281 -8.993 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.738 -3.796 -7.766 1.00 0.00 H new ATOM 0 HG SER A 36 -1.733 -6.052 -9.143 1.00 0.00 H new ATOM 497 N LEU A 37 -3.022 -6.425 -5.430 1.00 0.00 N ATOM 498 CA LEU A 37 -2.503 -7.009 -4.205 1.00 0.00 C ATOM 499 C LEU A 37 -1.023 -7.348 -4.394 1.00 0.00 C ATOM 500 O LEU A 37 -0.163 -6.793 -3.712 1.00 0.00 O ATOM 501 CB LEU A 37 -3.358 -8.203 -3.776 1.00 0.00 C ATOM 502 CG LEU A 37 -2.752 -9.111 -2.704 1.00 0.00 C ATOM 503 CD1 LEU A 37 -2.522 -8.344 -1.401 1.00 0.00 C ATOM 504 CD2 LEU A 37 -3.613 -10.358 -2.491 1.00 0.00 C ATOM 0 H LEU A 37 -3.422 -7.096 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.564 -6.293 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.313 -7.827 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.571 -8.807 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.777 -9.449 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.091 -9.013 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.839 -7.515 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.473 -7.957 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.160 -10.986 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.612 -10.060 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.681 -10.917 -3.424 1.00 0.00 H new ATOM 516 N GLU A 38 -0.772 -8.260 -5.322 1.00 0.00 N ATOM 517 CA GLU A 38 0.589 -8.680 -5.609 1.00 0.00 C ATOM 518 C GLU A 38 1.475 -7.462 -5.878 1.00 0.00 C ATOM 519 O GLU A 38 2.470 -7.249 -5.187 1.00 0.00 O ATOM 520 CB GLU A 38 0.625 -9.655 -6.788 1.00 0.00 C ATOM 521 CG GLU A 38 0.487 -11.101 -6.307 1.00 0.00 C ATOM 522 CD GLU A 38 -0.813 -11.726 -6.817 1.00 0.00 C ATOM 523 OE1 GLU A 38 -0.810 -12.168 -7.986 1.00 0.00 O ATOM 524 OE2 GLU A 38 -1.781 -11.749 -6.026 1.00 0.00 O ATOM 0 H GLU A 38 -1.488 -8.720 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 38 0.979 -9.203 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.181 -9.421 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.561 -9.537 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.338 -11.687 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.505 -11.129 -5.218 1.00 0.00 H new ATOM 531 N ARG A 39 1.082 -6.695 -6.884 1.00 0.00 N ATOM 532 CA ARG A 39 1.828 -5.504 -7.253 1.00 0.00 C ATOM 533 C ARG A 39 2.010 -4.594 -6.037 1.00 0.00 C ATOM 534 O ARG A 39 3.108 -4.098 -5.787 1.00 0.00 O ATOM 535 CB ARG A 39 1.114 -4.727 -8.361 1.00 0.00 C ATOM 536 CG ARG A 39 1.224 -5.457 -9.701 1.00 0.00 C ATOM 537 CD ARG A 39 1.107 -4.477 -10.870 1.00 0.00 C ATOM 538 NE ARG A 39 2.441 -3.932 -11.210 1.00 0.00 N ATOM 539 CZ ARG A 39 2.718 -3.279 -12.346 1.00 0.00 C ATOM 540 NH1 ARG A 39 1.757 -3.085 -13.260 1.00 0.00 N ATOM 541 NH2 ARG A 39 3.957 -2.819 -12.570 1.00 0.00 N ATOM 0 H ARG A 39 0.256 -6.875 -7.455 1.00 0.00 H new ATOM 0 HA ARG A 39 2.803 -5.824 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.064 -4.596 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.548 -3.731 -8.449 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.178 -5.982 -9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.440 -6.211 -9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.680 -4.981 -11.737 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.429 -3.665 -10.608 1.00 0.00 H new ATOM 0 HE ARG A 39 3.196 -4.062 -10.537 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.814 -3.435 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.969 -2.588 -14.125 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.689 -2.966 -11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.168 -2.322 -13.435 1.00 0.00 H new ATOM 555 N ALA A 40 0.917 -4.401 -5.313 1.00 0.00 N ATOM 556 CA ALA A 40 0.942 -3.559 -4.129 1.00 0.00 C ATOM 557 C ALA A 40 2.136 -3.951 -3.255 1.00 0.00 C ATOM 558 O ALA A 40 3.041 -3.147 -3.039 1.00 0.00 O ATOM 559 CB ALA A 40 -0.390 -3.683 -3.387 1.00 0.00 C ATOM 0 H ALA A 40 0.008 -4.813 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 40 1.065 -2.512 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.372 -3.052 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.202 -3.366 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.547 -4.720 -3.092 1.00 0.00 H new ATOM 565 N VAL A 41 2.098 -5.186 -2.777 1.00 0.00 N ATOM 566 CA VAL A 41 3.165 -5.694 -1.932 1.00 0.00 C ATOM 567 C VAL A 41 4.514 -5.232 -2.487 1.00 0.00 C ATOM 568 O VAL A 41 5.397 -4.831 -1.730 1.00 0.00 O ATOM 569 CB VAL A 41 3.058 -7.215 -1.811 1.00 0.00 C ATOM 570 CG1 VAL A 41 4.297 -7.800 -1.131 1.00 0.00 C ATOM 571 CG2 VAL A 41 1.783 -7.617 -1.067 1.00 0.00 C ATOM 0 H VAL A 41 1.345 -5.850 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 41 3.075 -5.294 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 41 3.003 -7.628 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.195 -8.883 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.183 -7.558 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.398 -7.377 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.731 -8.703 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.795 -7.187 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.913 -7.248 -1.610 1.00 0.00 H new ATOM 581 N ASP A 42 4.630 -5.303 -3.805 1.00 0.00 N ATOM 582 CA ASP A 42 5.856 -4.897 -4.471 1.00 0.00 C ATOM 583 C ASP A 42 6.117 -3.415 -4.192 1.00 0.00 C ATOM 584 O ASP A 42 7.224 -3.036 -3.815 1.00 0.00 O ATOM 585 CB ASP A 42 5.748 -5.081 -5.986 1.00 0.00 C ATOM 586 CG ASP A 42 6.807 -5.996 -6.604 1.00 0.00 C ATOM 587 OD1 ASP A 42 8.003 -5.727 -6.357 1.00 0.00 O ATOM 588 OD2 ASP A 42 6.398 -6.943 -7.309 1.00 0.00 O ATOM 0 H ASP A 42 3.895 -5.636 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 42 6.667 -5.517 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.762 -5.483 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.813 -4.102 -6.461 1.00 0.00 H new ATOM 593 N TRP A 43 5.077 -2.618 -4.389 1.00 0.00 N ATOM 594 CA TRP A 43 5.179 -1.186 -4.163 1.00 0.00 C ATOM 595 C TRP A 43 5.519 -0.962 -2.688 1.00 0.00 C ATOM 596 O TRP A 43 6.328 -0.097 -2.358 1.00 0.00 O ATOM 597 CB TRP A 43 3.898 -0.470 -4.597 1.00 0.00 C ATOM 598 CG TRP A 43 4.023 1.054 -4.644 1.00 0.00 C ATOM 599 CD1 TRP A 43 4.423 1.818 -5.671 1.00 0.00 C ATOM 600 CD2 TRP A 43 3.728 1.975 -3.573 1.00 0.00 C ATOM 601 NE1 TRP A 43 4.407 3.158 -5.340 1.00 0.00 N ATOM 602 CE2 TRP A 43 3.971 3.256 -4.024 1.00 0.00 C ATOM 603 CE3 TRP A 43 3.270 1.733 -2.266 1.00 0.00 C ATOM 604 CZ2 TRP A 43 3.785 4.396 -3.232 1.00 0.00 C ATOM 605 CZ3 TRP A 43 3.090 2.882 -1.487 1.00 0.00 C ATOM 606 CH2 TRP A 43 3.330 4.179 -1.926 1.00 0.00 C ATOM 0 H TRP A 43 4.160 -2.936 -4.702 1.00 0.00 H new ATOM 0 HA TRP A 43 5.974 -0.755 -4.772 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.608 -0.831 -5.584 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.094 -0.737 -3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.720 1.433 -6.635 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.667 3.934 -5.949 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.073 0.739 -1.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.982 5.389 -3.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.740 2.752 -0.474 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.166 5.015 -1.263 1.00 0.00 H new ATOM 617 N ILE A 44 4.882 -1.758 -1.841 1.00 0.00 N ATOM 618 CA ILE A 44 5.107 -1.657 -0.409 1.00 0.00 C ATOM 619 C ILE A 44 6.598 -1.836 -0.117 1.00 0.00 C ATOM 620 O ILE A 44 7.278 -0.884 0.264 1.00 0.00 O ATOM 621 CB ILE A 44 4.211 -2.643 0.344 1.00 0.00 C ATOM 622 CG1 ILE A 44 2.778 -2.116 0.443 1.00 0.00 C ATOM 623 CG2 ILE A 44 4.795 -2.975 1.719 1.00 0.00 C ATOM 624 CD1 ILE A 44 1.833 -3.194 0.977 1.00 0.00 C ATOM 0 H ILE A 44 4.211 -2.475 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 44 4.828 -0.667 -0.048 1.00 0.00 H new ATOM 0 HB ILE A 44 4.174 -3.573 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.751 -1.246 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.440 -1.785 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.139 -3.677 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.781 -3.423 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.881 -2.062 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.821 -2.793 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.844 -4.052 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.160 -3.505 1.969 1.00 0.00 H new ATOM 636 N PHE A 45 7.063 -3.062 -0.306 1.00 0.00 N ATOM 637 CA PHE A 45 8.461 -3.377 -0.068 1.00 0.00 C ATOM 638 C PHE A 45 9.367 -2.231 -0.523 1.00 0.00 C ATOM 639 O PHE A 45 10.284 -1.837 0.196 1.00 0.00 O ATOM 640 CB PHE A 45 8.785 -4.625 -0.893 1.00 0.00 C ATOM 641 CG PHE A 45 8.705 -5.932 -0.101 1.00 0.00 C ATOM 642 CD1 PHE A 45 7.564 -6.255 0.563 1.00 0.00 C ATOM 643 CD2 PHE A 45 9.776 -6.770 -0.062 1.00 0.00 C ATOM 644 CE1 PHE A 45 7.489 -7.468 1.297 1.00 0.00 C ATOM 645 CE2 PHE A 45 9.702 -7.983 0.672 1.00 0.00 C ATOM 646 CZ PHE A 45 8.560 -8.306 1.337 1.00 0.00 C ATOM 0 H PHE A 45 6.496 -3.849 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 45 8.630 -3.537 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.096 -4.680 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.788 -4.524 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.714 -5.589 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.683 -6.512 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.582 -7.725 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.552 -8.649 0.702 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.504 -9.228 1.897 1.00 0.00 H new ATOM 656 N SER A 46 9.078 -1.727 -1.714 1.00 0.00 N ATOM 657 CA SER A 46 9.854 -0.633 -2.272 1.00 0.00 C ATOM 658 C SER A 46 10.032 0.470 -1.227 1.00 0.00 C ATOM 659 O SER A 46 11.155 0.876 -0.933 1.00 0.00 O ATOM 660 CB SER A 46 9.189 -0.071 -3.530 1.00 0.00 C ATOM 661 OG SER A 46 10.105 0.666 -4.335 1.00 0.00 O ATOM 0 H SER A 46 8.317 -2.056 -2.308 1.00 0.00 H new ATOM 0 HA SER A 46 10.834 -1.018 -2.554 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.770 -0.890 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.358 0.574 -3.243 1.00 0.00 H new ATOM 0 HG SER A 46 9.642 1.006 -5.129 1.00 0.00 H new ATOM 667 N HIS A 47 8.906 0.924 -0.696 1.00 0.00 N ATOM 668 CA HIS A 47 8.923 1.972 0.310 1.00 0.00 C ATOM 669 C HIS A 47 9.832 1.558 1.469 1.00 0.00 C ATOM 670 O HIS A 47 10.658 2.345 1.927 1.00 0.00 O ATOM 671 CB HIS A 47 7.502 2.313 0.764 1.00 0.00 C ATOM 672 CG HIS A 47 7.053 3.704 0.385 1.00 0.00 C ATOM 673 ND1 HIS A 47 6.197 4.130 -0.587 1.00 0.00 N flip ATOM 674 CD2 HIS A 47 7.497 4.839 1.040 1.00 0.00 C flip ATOM 675 CE1 HIS A 47 6.121 5.454 -0.528 1.00 0.00 C flip ATOM 676 NE2 HIS A 47 6.927 5.895 0.479 1.00 0.00 N flip ATOM 0 H HIS A 47 7.976 0.585 -0.944 1.00 0.00 H new ATOM 0 HA HIS A 47 9.334 2.885 -0.120 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.810 1.589 0.333 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.442 2.205 1.847 1.00 0.00 H new ATOM 0 HD1 HIS A 47 5.699 3.533 -1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.190 4.860 1.868 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.520 6.079 -1.172 1.00 0.00 H new ATOM 684 N ILE A 48 9.650 0.321 1.909 1.00 0.00 N ATOM 685 CA ILE A 48 10.443 -0.208 3.005 1.00 0.00 C ATOM 686 C ILE A 48 11.929 -0.064 2.669 1.00 0.00 C ATOM 687 O ILE A 48 12.656 0.658 3.349 1.00 0.00 O ATOM 688 CB ILE A 48 10.021 -1.643 3.328 1.00 0.00 C ATOM 689 CG1 ILE A 48 8.751 -1.662 4.180 1.00 0.00 C ATOM 690 CG2 ILE A 48 11.166 -2.415 3.987 1.00 0.00 C ATOM 691 CD1 ILE A 48 7.534 -2.058 3.341 1.00 0.00 C ATOM 0 H ILE A 48 8.965 -0.330 1.526 1.00 0.00 H new ATOM 0 HA ILE A 48 10.265 0.364 3.915 1.00 0.00 H new ATOM 0 HB ILE A 48 9.788 -2.150 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.873 -2.364 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.589 -0.678 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.840 -3.432 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.021 -2.446 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.454 -1.918 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.644 -2.064 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.401 -1.340 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.689 -3.052 2.922 1.00 0.00 H new ATOM 703 N ASP A 49 12.336 -0.764 1.620 1.00 0.00 N ATOM 704 CA ASP A 49 13.722 -0.724 1.186 1.00 0.00 C ATOM 705 C ASP A 49 14.209 0.727 1.183 1.00 0.00 C ATOM 706 O ASP A 49 15.233 1.042 1.788 1.00 0.00 O ATOM 707 CB ASP A 49 13.870 -1.275 -0.234 1.00 0.00 C ATOM 708 CG ASP A 49 13.383 -2.712 -0.424 1.00 0.00 C ATOM 709 OD1 ASP A 49 12.627 -3.176 0.457 1.00 0.00 O ATOM 710 OD2 ASP A 49 13.778 -3.315 -1.445 1.00 0.00 O ATOM 0 H ASP A 49 11.730 -1.362 1.058 1.00 0.00 H new ATOM 0 HA ASP A 49 14.309 -1.334 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.321 -0.628 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.920 -1.223 -0.520 1.00 0.00 H new ATOM 715 N ASP A 50 13.453 1.570 0.497 1.00 0.00 N ATOM 716 CA ASP A 50 13.795 2.980 0.408 1.00 0.00 C ATOM 717 C ASP A 50 15.163 3.127 -0.261 1.00 0.00 C ATOM 718 O ASP A 50 16.193 2.885 0.367 1.00 0.00 O ATOM 719 CB ASP A 50 13.876 3.616 1.797 1.00 0.00 C ATOM 720 CG ASP A 50 13.996 5.141 1.804 1.00 0.00 C ATOM 721 OD1 ASP A 50 13.371 5.763 0.918 1.00 0.00 O ATOM 722 OD2 ASP A 50 14.709 5.650 2.695 1.00 0.00 O ATOM 0 H ASP A 50 12.604 1.305 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 50 13.019 3.480 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.987 3.334 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.734 3.197 2.323 1.00 0.00 H new ATOM 727 N LEU A 51 15.129 3.523 -1.524 1.00 0.00 N ATOM 728 CA LEU A 51 16.354 3.705 -2.284 1.00 0.00 C ATOM 729 C LEU A 51 17.326 4.570 -1.478 1.00 0.00 C ATOM 730 O LEU A 51 18.396 4.107 -1.086 1.00 0.00 O ATOM 731 CB LEU A 51 16.044 4.262 -3.675 1.00 0.00 C ATOM 732 CG LEU A 51 15.795 3.225 -4.773 1.00 0.00 C ATOM 733 CD1 LEU A 51 17.080 2.470 -5.115 1.00 0.00 C ATOM 734 CD2 LEU A 51 14.659 2.277 -4.383 1.00 0.00 C ATOM 0 H LEU A 51 14.273 3.723 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 51 16.844 2.746 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.165 4.902 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.875 4.897 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 51 15.481 3.750 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.875 1.739 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.834 3.175 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.448 1.957 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.502 1.550 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.920 1.755 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.744 2.849 -4.229 1.00 0.00 H new ATOM 746 N ASP A 52 16.918 5.811 -1.255 1.00 0.00 N ATOM 747 CA ASP A 52 17.739 6.744 -0.503 1.00 0.00 C ATOM 748 C ASP A 52 16.868 7.904 -0.016 1.00 0.00 C ATOM 749 O ASP A 52 16.543 8.807 -0.785 1.00 0.00 O ATOM 750 CB ASP A 52 18.854 7.324 -1.376 1.00 0.00 C ATOM 751 CG ASP A 52 19.671 8.440 -0.723 1.00 0.00 C ATOM 752 OD1 ASP A 52 19.649 8.505 0.525 1.00 0.00 O ATOM 753 OD2 ASP A 52 20.300 9.204 -1.487 1.00 0.00 O ATOM 0 H ASP A 52 16.030 6.192 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 52 18.181 6.205 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 52 19.530 6.517 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.413 7.708 -2.296 1.00 0.00 H new ATOM 758 N ALA A 53 16.515 7.842 1.260 1.00 0.00 N ATOM 759 CA ALA A 53 15.688 8.876 1.859 1.00 0.00 C ATOM 760 C ALA A 53 15.871 8.852 3.378 1.00 0.00 C ATOM 761 O ALA A 53 14.992 8.391 4.105 1.00 0.00 O ATOM 762 CB ALA A 53 14.230 8.668 1.443 1.00 0.00 C ATOM 0 H ALA A 53 16.787 7.092 1.895 1.00 0.00 H new ATOM 0 HA ALA A 53 15.990 9.862 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.609 9.443 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.150 8.723 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.891 7.690 1.783 1.00 0.00 H new ATOM 768 N GLU A 54 17.017 9.355 3.812 1.00 0.00 N ATOM 769 CA GLU A 54 17.326 9.398 5.231 1.00 0.00 C ATOM 770 C GLU A 54 17.165 10.822 5.766 1.00 0.00 C ATOM 771 O GLU A 54 17.988 11.692 5.483 1.00 0.00 O ATOM 772 CB GLU A 54 18.735 8.866 5.501 1.00 0.00 C ATOM 773 CG GLU A 54 18.739 7.909 6.695 1.00 0.00 C ATOM 774 CD GLU A 54 19.004 6.471 6.245 1.00 0.00 C ATOM 775 OE1 GLU A 54 18.231 5.993 5.387 1.00 0.00 O ATOM 776 OE2 GLU A 54 19.974 5.882 6.768 1.00 0.00 O ATOM 0 H GLU A 54 17.743 9.736 3.206 1.00 0.00 H new ATOM 0 HA GLU A 54 16.623 8.752 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.109 8.351 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.411 9.699 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.503 8.217 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.780 7.961 7.211 1.00 0.00 H new ATOM 783 N ALA A 55 16.101 11.016 6.531 1.00 0.00 N ATOM 784 CA ALA A 55 15.822 12.319 7.109 1.00 0.00 C ATOM 785 C ALA A 55 14.860 12.155 8.287 1.00 0.00 C ATOM 786 O ALA A 55 13.651 12.036 8.095 1.00 0.00 O ATOM 787 CB ALA A 55 15.266 13.249 6.028 1.00 0.00 C ATOM 0 H ALA A 55 15.421 10.292 6.764 1.00 0.00 H new ATOM 0 HA ALA A 55 16.737 12.772 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.057 14.227 6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.999 13.356 5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.346 12.827 5.623 1.00 0.00 H new ATOM 793 N ALA A 56 15.433 12.153 9.482 1.00 0.00 N ATOM 794 CA ALA A 56 14.642 12.005 10.691 1.00 0.00 C ATOM 795 C ALA A 56 13.655 10.851 10.512 1.00 0.00 C ATOM 796 O ALA A 56 12.473 11.074 10.254 1.00 0.00 O ATOM 797 CB ALA A 56 13.941 13.328 11.008 1.00 0.00 C ATOM 0 H ALA A 56 16.436 12.252 9.638 1.00 0.00 H new ATOM 0 HA ALA A 56 15.281 11.763 11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.347 13.217 11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.687 14.109 11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.289 13.602 10.179 1.00 0.00 H new ATOM 803 N MET A 57 14.175 9.641 10.655 1.00 0.00 N ATOM 804 CA MET A 57 13.354 8.451 10.512 1.00 0.00 C ATOM 805 C MET A 57 14.112 7.203 10.970 1.00 0.00 C ATOM 806 O MET A 57 15.025 6.741 10.288 1.00 0.00 O ATOM 807 CB MET A 57 12.942 8.288 9.047 1.00 0.00 C ATOM 808 CG MET A 57 11.435 8.492 8.876 1.00 0.00 C ATOM 809 SD MET A 57 10.574 6.956 9.169 1.00 0.00 S ATOM 810 CE MET A 57 8.904 7.460 8.790 1.00 0.00 C ATOM 0 H MET A 57 15.156 9.459 10.869 1.00 0.00 H new ATOM 0 HA MET A 57 12.469 8.566 11.138 1.00 0.00 H new ATOM 0 HB2 MET A 57 13.482 9.007 8.431 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.220 7.295 8.695 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.082 9.255 9.570 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.220 8.853 7.870 1.00 0.00 H new ATOM 0 HE1 MET A 57 8.230 6.614 8.922 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.607 8.268 9.458 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.854 7.806 7.758 1.00 0.00 H new ATOM 820 N SER A 58 13.706 6.694 12.124 1.00 0.00 N ATOM 821 CA SER A 58 14.335 5.509 12.682 1.00 0.00 C ATOM 822 C SER A 58 13.513 4.987 13.863 1.00 0.00 C ATOM 823 O SER A 58 13.226 5.730 14.800 1.00 0.00 O ATOM 824 CB SER A 58 15.770 5.803 13.123 1.00 0.00 C ATOM 825 OG SER A 58 16.725 5.360 12.163 1.00 0.00 O ATOM 0 H SER A 58 12.949 7.081 12.688 1.00 0.00 H new ATOM 0 HA SER A 58 14.372 4.744 11.906 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.888 6.875 13.283 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.963 5.315 14.078 1.00 0.00 H new ATOM 0 HG SER A 58 16.453 5.658 11.270 1.00 0.00 H new ATOM 831 N GLY A 59 13.158 3.713 13.778 1.00 0.00 N ATOM 832 CA GLY A 59 12.375 3.084 14.828 1.00 0.00 C ATOM 833 C GLY A 59 12.033 1.637 14.464 1.00 0.00 C ATOM 834 O GLY A 59 10.926 1.353 14.010 1.00 0.00 O ATOM 0 H GLY A 59 13.398 3.100 12.999 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.932 3.105 15.765 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.457 3.649 14.990 1.00 0.00 H new ATOM 838 N PRO A 60 13.030 0.739 14.683 1.00 0.00 N ATOM 839 CA PRO A 60 12.846 -0.671 14.383 1.00 0.00 C ATOM 840 C PRO A 60 11.962 -1.344 15.435 1.00 0.00 C ATOM 841 O PRO A 60 11.932 -0.921 16.589 1.00 0.00 O ATOM 842 CB PRO A 60 14.251 -1.249 14.331 1.00 0.00 C ATOM 843 CG PRO A 60 15.139 -0.252 15.057 1.00 0.00 C ATOM 844 CD PRO A 60 14.355 1.040 15.220 1.00 0.00 C ATOM 0 HA PRO A 60 12.327 -0.836 13.439 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.289 -2.227 14.810 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.579 -1.386 13.301 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.436 -0.643 16.030 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.054 -0.074 14.492 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.300 1.340 16.266 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.825 1.860 14.677 1.00 0.00 H new ATOM 852 N SER A 61 11.263 -2.381 14.997 1.00 0.00 N ATOM 853 CA SER A 61 10.380 -3.117 15.887 1.00 0.00 C ATOM 854 C SER A 61 11.196 -4.062 16.770 1.00 0.00 C ATOM 855 O SER A 61 11.286 -5.257 16.491 1.00 0.00 O ATOM 856 CB SER A 61 9.332 -3.903 15.096 1.00 0.00 C ATOM 857 OG SER A 61 8.466 -4.646 15.949 1.00 0.00 O ATOM 0 H SER A 61 11.290 -2.729 14.039 1.00 0.00 H new ATOM 0 HA SER A 61 9.857 -2.400 16.520 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.742 -3.214 14.492 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.833 -4.583 14.407 1.00 0.00 H new ATOM 0 HG SER A 61 7.811 -5.132 15.406 1.00 0.00 H new ATOM 863 N SER A 62 11.770 -3.492 17.819 1.00 0.00 N ATOM 864 CA SER A 62 12.576 -4.269 18.746 1.00 0.00 C ATOM 865 C SER A 62 11.671 -5.116 19.643 1.00 0.00 C ATOM 866 O SER A 62 11.786 -6.340 19.667 1.00 0.00 O ATOM 867 CB SER A 62 13.467 -3.361 19.596 1.00 0.00 C ATOM 868 OG SER A 62 14.686 -4.001 19.963 1.00 0.00 O ATOM 0 H SER A 62 11.693 -2.501 18.048 1.00 0.00 H new ATOM 0 HA SER A 62 13.223 -4.928 18.167 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.689 -2.449 19.042 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.928 -3.064 20.496 1.00 0.00 H new ATOM 0 HG SER A 62 15.227 -3.388 20.503 1.00 0.00 H new ATOM 874 N GLY A 63 10.792 -4.430 20.359 1.00 0.00 N ATOM 875 CA GLY A 63 9.868 -5.104 21.255 1.00 0.00 C ATOM 876 C GLY A 63 8.557 -4.325 21.378 1.00 0.00 C ATOM 877 O GLY A 63 8.563 -3.143 21.718 1.00 0.00 O ATOM 0 H GLY A 63 10.700 -3.414 20.337 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.665 -6.109 20.885 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.324 -5.213 22.239 1.00 0.00 H new TER 881 GLY A 63